(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone

C11H17N3O — CID 130905526

IUPAC(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
SMILESCC1CCCCC1C(=O)c1cn(C)nn1
InChIInChI=1S/C11H17N3O/c1-8-5-3-4-6-9(8)11(15)10-7-14(2)13-12-10/h7-9H,3-6H2,1-2H3
InChIKeyZXIVWNDBAHFHIH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.82
Rot. Bonds2

About (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone

(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone (PubChem CID 130905526) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
PubChem CID130905526
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone
SMILESCC1CCCCC1C(=O)c1cn(C)nn1
InChIInChI=1S/C11H17N3O/c1-8-5-3-4-6-9(8)11(15)10-7-14(2)13-12-10/h7-9H,3-6H2,1-2H3
InChIKeyZXIVWNDBAHFHIH-UHFFFAOYSA-N
XLogP1.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
(1-hydroxycyclopentyl)-(1-methyltriazol-4-yl)methanone
CID 130602609
ethane;1-(1-methyltriazol-4-yl)ethanone
CID 142493960
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
CID 112735587
2,2-difluoro-1-(1-methyltriazol-4-yl)propan-1-one
CID 130757123
1-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propane-1,3-dione
CID 165484467
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone (CID 130905526) is (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone is CC1CCCCC1C(=O)c1cn(C)nn1.
What is the InChIKey of (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is ZXIVWNDBAHFHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-3-4-6-9(8)11(15)10-7-14(2)13-12-10/h7-9H,3-6H2,1-2H3.
What are the key properties of (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone?
(2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130905526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).